Title of article :
Structure of exact Wannier states of tetrahedral-bonded crystals
Author/Authors :
Hoshi، نويسنده , , Takeo and Fujiwara، نويسنده , , Takeo، نويسنده ,
Issue Information :
هفته نامه با شماره پیاپی سال 2001
Abstract :
`Exactʹ Wannier states (WS) are constructed for the tetrahedral-bonded solids within the minimal tight-binding Hamiltonians. The structure of the resultant WS is analyzed using a perturbation theory, which gives a simple picture of WS as a central bonding orbital and neighboring anti-bonding orbitals. These WS are directly related to the order-N electronic-structure theory.
Keywords :
computer simulations , Silicon , Ab initio quantum chemical methods and calculations , diamond
Journal title :
Surface Science
Journal title :
Surface Science